2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride

C19H23Cl2N3O2 — CID 120608743

IUPAC2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C19H22ClN3O2.ClH/c1-12(2)22-19(25)15-9-8-14(20)11-17(15)23-18(24)10-7-13-5-3-4-6-16(13)21;/h3-6,8-9,11-12H,7,10,21H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyVIGWXXSDHVEXIV-UHFFFAOYSA-N
MW396.32 g/mol
LogP4.05
Rot. Bonds6

About 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride

2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 120608743) has the molecular formula C19H23Cl2N3O2 and a molecular weight of 396.32 g/mol. Its IUPAC name is 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride
PubChem CID120608743
Molecular FormulaC19H23Cl2N3O2
Molecular Weight396.32 g/mol
Exact Mass395.12
IUPAC Name2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride
SMILESCC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C19H22ClN3O2.ClH/c1-12(2)22-19(25)15-9-8-14(20)11-17(15)23-18(24)10-7-13-5-3-4-6-16(13)21;/h3-6,8-9,11-12H,7,10,21H2,1-2H3,(H,22,25)(H,23,24);1H
InChIKeyVIGWXXSDHVEXIV-UHFFFAOYSA-N
XLogP4.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminopropanoylamino)-4-chloro-N-propan-2-ylbenzamide;hydrochloride
CID 119283724
4-chloro-2-[3-(4-methoxyphenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 55807308
4-[3-(2-aminophenyl)propanoylamino]-3-methyl-N-propan-2-ylbenzamide
CID 120609602
2-(3-benzamidopropanoylamino)-4-chloro-N-propan-2-ylbenzamide
CID 55807341
3-(2-aminophenyl)-N-[5-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 120610429
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
4-chloro-2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807409
3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 54795481
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
3-(2-aminophenyl)-N-(2-propan-2-yloxyphenyl)propanamide;hydrochloride
CID 120608791
3-(2-aminophenyl)-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]propanamide
CID 120611024
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride (CID 120608743) is 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride is CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is VIGWXXSDHVEXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2.ClH/c1-12(2)22-19(25)15-9-8-14(20)11-17(15)23-18(24)10-7-13-5-3-4-6-16(13)21;/h3-6,8-9,11-12H,7,10,21H2,1-2H3,(H,22,25)(H,23,24);1H.
What are the key properties of 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride?
2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 396.32 g/mol, XLogP of 4.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminophenyl)propanoylamino]-4-chloro-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 120608743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).